N-[(S)-cyclopentyl-(4-fluorophenyl)methyl]-4-(4-oxoquinazolin-3-yl)butanamide

C24H26FN3O2 — CID 51951513

IUPACN-[(S)-cyclopentyl-(4-fluorophenyl)methyl]-4-(4-oxoquinazolin-3-yl)butanamide
SMILESO=C(CCCn1cnc2ccccc2c1=O)N[C@H](c1ccc(F)cc1)C1CCCC1
InChIInChI=1S/C24H26FN3O2/c25-19-13-11-18(12-14-19)23(17-6-1-2-7-17)27-22(29)10-5-15-28-16-26-21-9-4-3-8-20(21)24(28)30/h3-4,8-9,11-14,16-17,23H,1-2,5-7,10,15H2,(H,27,29)/t23-/m0/s1
InChIKeyMVYLWBGCUKGGMD-QHCPKHFHSA-N
MW407.49 g/mol
LogP4.36
Rot. Bonds7

About N-[(S)-cyclopentyl-(4-fluorophenyl)methyl]-4-(4-oxoquinazolin-3-yl)butanamide

N-[(S)-cyclopentyl-(4-fluorophenyl)methyl]-4-(4-oxoquinazolin-3-yl)butanamide (PubChem CID 51951513) has the molecular formula C24H26FN3O2 and a molecular weight of 407.49 g/mol. Its IUPAC name is N-[(S)-cyclopentyl-(4-fluorophenyl)methyl]-4-(4-oxoquinazolin-3-yl)butanamide.

Molecular Properties

Compound NameN-[(S)-cyclopentyl-(4-fluorophenyl)methyl]-4-(4-oxoquinazolin-3-yl)butanamide
PubChem CID51951513
Molecular FormulaC24H26FN3O2
Molecular Weight407.49 g/mol
Exact Mass407.20
IUPAC NameN-[(S)-cyclopentyl-(4-fluorophenyl)methyl]-4-(4-oxoquinazolin-3-yl)butanamide
SMILESO=C(CCCn1cnc2ccccc2c1=O)N[C@H](c1ccc(F)cc1)C1CCCC1
InChIInChI=1S/C24H26FN3O2/c25-19-13-11-18(12-14-19)23(17-6-1-2-7-17)27-22(29)10-5-15-28-16-26-21-9-4-3-8-20(21)24(28)30/h3-4,8-9,11-14,16-17,23H,1-2,5-7,10,15H2,(H,27,29)/t23-/m0/s1
InChIKeyMVYLWBGCUKGGMD-QHCPKHFHSA-N
XLogP4.36
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.49
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(S)-cyclopentyl-(4-fluorophenyl)methyl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
CID 51951535
N-[(4-chlorophenyl)-phenylmethyl]-4-(4-oxoquinazolin-3-yl)butanamide
CID 46414369
N-[1-(3-hydroxycyclobutyl)propyl]-4-(4-oxoquinazolin-3-yl)butanamide
CID 91790449
4-amino-N-[cyclobutyl-(4-fluorophenyl)methyl]butanamide
CID 119318592
N-[1H-benzimidazol-2-yl(phenyl)methyl]-4-(4-oxoquinazolin-3-yl)butanamide
CID 118986181
N-[cyclopentyl-(4-fluorophenyl)methyl]-4-(methylamino)butanamide;hydrochloride
CID 119735348
N-[[4-(difluoromethoxy)phenyl]-phenylmethyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 16573183
N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 35246626
N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-4-(4-oxoquinazolin-3-yl)butanamide
CID 51873542
N-[(S)-cyclopentyl-(4-fluorophenyl)methyl]-3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide
CID 51951531
N-[1-(2-fluorophenyl)ethyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 46662190
N-[cyclobutyl-(4-fluorophenyl)methyl]-4-(methylamino)butanamide
CID 119775061

Frequently Asked Questions

What is the IUPAC name of N-[(S)-cyclopentyl-(4-fluorophenyl)methyl]-4-(4-oxoquinazolin-3-yl)butanamide?
The IUPAC name of N-[(S)-cyclopentyl-(4-fluorophenyl)methyl]-4-(4-oxoquinazolin-3-yl)butanamide (CID 51951513) is N-[(S)-cyclopentyl-(4-fluorophenyl)methyl]-4-(4-oxoquinazolin-3-yl)butanamide.
What is the SMILES notation for N-[(S)-cyclopentyl-(4-fluorophenyl)methyl]-4-(4-oxoquinazolin-3-yl)butanamide?
The canonical SMILES for N-[(S)-cyclopentyl-(4-fluorophenyl)methyl]-4-(4-oxoquinazolin-3-yl)butanamide is O=C(CCCn1cnc2ccccc2c1=O)N[C@H](c1ccc(F)cc1)C1CCCC1.
What is the InChIKey of N-[(S)-cyclopentyl-(4-fluorophenyl)methyl]-4-(4-oxoquinazolin-3-yl)butanamide?
The InChIKey is MVYLWBGCUKGGMD-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H26FN3O2/c25-19-13-11-18(12-14-19)23(17-6-1-2-7-17)27-22(29)10-5-15-28-16-26-21-9-4-3-8-20(21)24(28)30/h3-4,8-9,11-14,16-17,23H,1-2,5-7,10,15H2,(H,27,29)/t23-/m0/s1.
What are the key properties of N-[(S)-cyclopentyl-(4-fluorophenyl)methyl]-4-(4-oxoquinazolin-3-yl)butanamide?
N-[(S)-cyclopentyl-(4-fluorophenyl)methyl]-4-(4-oxoquinazolin-3-yl)butanamide has a molecular weight of 407.49 g/mol, XLogP of 4.36, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-cyclopentyl-(4-fluorophenyl)methyl]-4-(4-oxoquinazolin-3-yl)butanamide is sourced from PubChem (CID 51951513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).